1-[4-(2-nitrophenyl)sulfonylpiperazin-1-yl]-2-(3-propyl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)ethanone

Systemtic Name: 1-[4-(2-nitrophenyl)sulfonylpiperazin-1-yl]-2-(3-propyl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)ethanone Openeye Name: 1-[4-(2-nitrophenyl)sulfonylpiperazin-1-yl]-2-(3-propyl-5-thioxo-1H-1,2,4-triazol-4-yl)ethanone CAS Name: 1-[4-(2-nitrophenyl)sulfonyl-1-piperazinyl]-2-(3-propyl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)ethanone IUPAC Name: 1-[4-(2-nitrophenyl)sulfonylpiperazin-1-yl]-2-(3-propyl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)ethanone Traditional Name: 1-[4-(2-nitrophenyl)sulfonylpiperazino]-2-(3-propyl-5-thioxo-1H-1,2,4-triazol-4-yl)ethanone Formula: C17H22N6O5S2 MolecularWeight: 454.52378

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NNC(=S)N1CC(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CC=C3[N+](=O)[O-]

Isomeric SMILES

CCCC1=NNC(=S)N1CC(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CC=C3[N+](=O)[O-]

InChI

InChI=1S/C17H22N6O5S2/c1-2-5-15-18-19-17(29)22(15)12-16(24)20-8-10-21(11-9-20)30(27,28)14-7-4-3-6-13(14)23(25)26/h3-4,6-7H,2,5,8-12H2,1H3,(H,19,29)